pKahub
About
Molecules
Datasets
Molecule ID:
mol16043
SMILES:
Cn1nccc1N
InChI:
InChI=1S/C4H7N3/c1-7-4(5)2-3-6-7/h2-3H,5H2,1H3
Experimental Macro pKa Values
Download:
TSV
JSON
SMILES
SDF
Macro pKa value
Dataset
Assigned charge state transition
4.23
Datawarrior
1 » 0
4.23
OCHEM
1 » 0
4.23
AttenGpKa training set
1 » 0
4.23
QSARToolbox
1 » 0
Download Microspecies:
MICRO SMILES
MICRO SDF
Charge States and Microspecies Visualization